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CHEBI:143966 - (2S)-homocitric acid

ChEBI IDCHEBI:143966
ChEBI Name(2S)-homocitric acid
Stars
ASCII Name(2S)-homocitric acid
DefinitionThe (S)-enantiomer of homocitric acid.
Last Modified6 August 2019
Submittermwilliams
DownloadsMolfile
FormulaC7H10O7
Net Charge0
Average Mass206.150
Monoisotopic Mass206.04265
SMILESO=C(O)CC[C@](O)(CC(=O)O)C(=O)O
InChIInChI=1S/C7H10O7/c8-4(9)1-2-7(14,6(12)13)3-5(10)11/h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13)/t7-/m0/s1
InChIKeyXKJVEVRQMLKSMO-ZETCQYMHSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(2S)-homocitric acid (CHEBI:143966) is a homocitric acid (CHEBI:17852)
(2S)-homocitric acid (CHEBI:143966) is enantiomer of (2R)-homocitric acid (CHEBI:52222)
Incoming Relation(s)
(2R)-homocitric acid (CHEBI:52222) is enantiomer of (2S)-homocitric acid (CHEBI:143966)
IUPAC Name 
(2S)-2-hydroxybutane-1,2,4-tricarboxylic acid
Synonyms  Source
(S)-2-hydroxybutane-1,2,4-tricarboxylic acidChEBI
(S)-homocitric acidChEBI
Registry NumbersSources
CAS:210713-60-3ChEBI